Isopropyl benzenesulfonate
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Isopropyl benzenesulfonate
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CAS No:
6214-18-2
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Formula:
C9H12O3S
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Chemical Name:
Isopropyl benzenesulfonate
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Synonyms:
Benzenesulfonic acid,1-methylethyl ester;Benzenesulfonic acid,isopropyl ester;Isopropyl benzenesulfonate;1-Methylethyl benzenesulfonate
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CAS No:
Characteristics
51.8
2
Colorless to pale yellow Liquid
1.145 g/cm3 @ Temp: 20 °C
155 °C @ Press: 7 Torr
139.637°C
soluble in chloroform and ethyl acetate.
Refrigerator
Isopropyl benzenesulfonate Use and Manufacturing
A sulfonate ester as potential genotoxic impurity in drug substances.
Computed Properties
Molecular Weight:200.26
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:200.05071541
Monoisotopic Mass:200.05071541
Topological Polar Surface Area:51.8
Heavy Atom Count:13
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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